SCHEMBL8490498

SCHEMBL8490498

CC(C)(C)c1n[nH]c(N)c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.42
MAPT P10636 5/20 0.42
LMNA P02545 2/20 0.42
NOTUM Q6P988 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 1/20 0.41
PRKDC P78527 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
XDH P47989 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GYS1 P13807 1/20 0.39
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8491346 0.81 ABCC8 (0.61) APOBEC3GNOTUMABCC8KCNJ11XDH
SCHEMBL8493733 0.81 APOBEC3G (0.40) APOBEC3GMAPTLMNANOTUMABCC8
SCHEMBL4898151 0.76 KDM4E (0.51) MAPTLMNAALDH1A1GAADYRK1A
SCHEMBL14280350 0.76 CCNE1 (0.70) CCNE2CCNE1CDK2MAPTALDH1A1
SCHEMBL19459337 0.75 KIF11 (0.42) NOTUMALDH1A1NPC1RAB9AMEN1
SCHEMBL19926357 0.74 MAPT (0.55) CCNE2CCNE1CDK2MAPTLMNA
SCHEMBL4009647 0.72 MAPK1 (0.47) MAPTLMNAALDH1A1KMT2ATDP1
SCHEMBL22126016 0.72 IKBKB (0.59) CCNE2CCNE1CDK2APOBEC3GMAPT
SCHEMBL6572637 0.71 HPGDS (0.41) MAPTPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL8495521 0.69 ABCC8 (0.50) MAPTNOTUMABCC8KCNJ11XDH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999062885-A1 SUBSTITUTED 1-(4-AMINOPHENYL)PYRAZOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-12-09 WO disclosed